3-amino-2-(2-ethylpyrazol-3-yl)-1,1,1-trifluoropropan-2-ol

C8H12F3N3O — CID 63974654

IUPAC3-amino-2-(2-ethylpyrazol-3-yl)-1,1,1-trifluoropropan-2-ol
SMILESCCn1nccc1C(O)(CN)C(F)(F)F
InChIInChI=1S/C8H12F3N3O/c1-2-14-6(3-4-13-14)7(15,5-12)8(9,10)11/h3-4,15H,2,5,12H2,1H3
InChIKeyNNPXLVBECBPAEO-UHFFFAOYSA-N
MW223.20 g/mol
LogP0.61
Rot. Bonds3

About 3-amino-2-(2-ethylpyrazol-3-yl)-1,1,1-trifluoropropan-2-ol

3-amino-2-(2-ethylpyrazol-3-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 63974654) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is 3-amino-2-(2-ethylpyrazol-3-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-amino-2-(2-ethylpyrazol-3-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID63974654
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name3-amino-2-(2-ethylpyrazol-3-yl)-1,1,1-trifluoropropan-2-ol
SMILESCCn1nccc1C(O)(CN)C(F)(F)F
InChIInChI=1S/C8H12F3N3O/c1-2-14-6(3-4-13-14)7(15,5-12)8(9,10)11/h3-4,15H,2,5,12H2,1H3
InChIKeyNNPXLVBECBPAEO-UHFFFAOYSA-N
XLogP0.61
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-ethylpyrazol-3-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-amino-2-(2-ethylpyrazol-3-yl)-1,1,1-trifluoropropan-2-ol (CID 63974654) is 3-amino-2-(2-ethylpyrazol-3-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-amino-2-(2-ethylpyrazol-3-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-amino-2-(2-ethylpyrazol-3-yl)-1,1,1-trifluoropropan-2-ol is CCn1nccc1C(O)(CN)C(F)(F)F.
What is the InChIKey of 3-amino-2-(2-ethylpyrazol-3-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is NNPXLVBECBPAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-2-14-6(3-4-13-14)7(15,5-12)8(9,10)11/h3-4,15H,2,5,12H2,1H3.
What are the key properties of 3-amino-2-(2-ethylpyrazol-3-yl)-1,1,1-trifluoropropan-2-ol?
3-amino-2-(2-ethylpyrazol-3-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 223.20 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-ethylpyrazol-3-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63974654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).